1-ethoxy-2-methoxyethane

• ChemBase ID: 295645
• Molecular Formular: C5H12O2
• Molecular Mass: 104.14758
• Monoisotopic Mass: 104.08372962
• SMILES: CCOCCOC
• Canonical SMILES: COCCOCC
• InChI: InChI=1S/C5H12O2/c1-3-7-5-4-6-2/h3-5H2,1-2H3
• InChIKey: CAQYAZNFWDDMIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethoxy-2-methoxyethane
• IUPAC Traditional name: 1-ethoxy-2-methoxyethane
• Synonyms: 1-Ethoxy-2-methoxyethane; Ethyl 2-methoxyethyl ether; Ethylene glycol ethyl methyl ether; 乙二醇甲酸乙醚

Database IDs

• CAS Number: 5137-45-1
• EC Number: 225-893-6
• MDL Number: MFCD00048580
• PubChem SID: 180681176
• PubChem CID: 123223

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.43438187
• LogD (pH = 7.4): 0.43438187
• Log P: 0.43438187
• Molar Refractivity: 28.8046 cm^3
• Polarizability: 11.331112 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 100-102°C
• Flash Point: 2°C(36°F)
• Density: 0.850

Safety Information

• European Hazard Symbols: Flammable (F); X
• UN Number: UN3271
• Hazard Class: 3
• Packing Group: II
• Risk Statements: 11-36/37/38-63
• Safety Statements: 9-16-23-26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07; GHS08
• GHS Hazard statements: H224-H361-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 97%, stab. with 0.01% BHT